5UU8
Tetragonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-27 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 97.500, 97.500, 107.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.304 - 2.500 |
| R-factor | 0.230457041423 |
| Rwork | 0.229 |
| R-free | 0.28902 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.409 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.304 | |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 31571 | |
| <I/σ(I)> | 5.8 | 1.4 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 0.985 | 0.761 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Protein: 50 mg/mL in 45% DMSO,0.5 M ZnCl2 Well: ~2 M AmSO4 |
